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	hartrees
Energy at 0K	-409.300086
Energy at 298.15K	-409.298773
HF Energy	-408.743251
Nuclear repulsion energy	323.872608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2304	2210	0.00
2	A₁	587	564	0.00
3	E	565	542	0.00
3	E	565	542	0.00
4	E	112	107	0.00
4	E	112	107	0.00
5	T₁	335	322	0.00
5	T₁	335	322	0.00
5	T₁	335	322	0.00
6	T₂	2299	2206	13.98
6	T₂	2299	2206	13.98
6	T₂	2299	2206	13.98
7	T₂	1073	1030	30.77
7	T₂	1073	1030	30.77
7	T₂	1073	1030	30.77
8	T₂	552	529	0.11
8	T₂	552	529	0.11
8	T₂	552	529	0.11
9	T₂	146	140	14.04
9	T₂	146	140	14.04
9	T₂	146	140	14.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.853	0.853	0.853
C3	-0.853	-0.853	0.853
C4	-0.853	0.853	-0.853
C5	0.853	-0.853	-0.853
N6	1.520	1.520	1.520
N7	-1.520	-1.520	1.520
N8	-1.520	1.520	-1.520
N9	1.520	-1.520	-1.520

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4774	1.4774	1.4774	1.4774	2.6322	2.6322	2.6322	2.6322
C2	1.4774		2.4126	2.4126	2.4126	1.1547	3.4211	3.4211	3.4211
C3	1.4774	2.4126		2.4126	2.4126	3.4211	1.1547	3.4211	3.4211
C4	1.4774	2.4126	2.4126		2.4126	3.4211	3.4211	1.1547	3.4211
C5	1.4774	2.4126	2.4126	2.4126		3.4211	3.4211	3.4211	1.1547
N6	2.6322	1.1547	3.4211	3.4211	3.4211		4.2983	4.2983	4.2983
N7	2.6322	3.4211	1.1547	3.4211	3.4211	4.2983		4.2983	4.2983
N8	2.6322	3.4211	3.4211	1.1547	3.4211	4.2983	4.2983		4.2983
N9	2.6322	3.4211	3.4211	3.4211	1.1547	4.2983	4.2983	4.2983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	N7	180.000
C1	C4	N8	180.000	C1	C5	N9	180.000
C2	C1	C3	109.471	C2	C1	C4	109.471
C2	C1	C5	109.471	C3	C1	C4	109.471
C3	C1	C5	109.471	C4	C1	C5	109.471

All results from a given calculation for C(CN)₄ (tetracyanomethane)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C(CN)4 (tetracyanomethane)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C(CN)₄ (tetracyanomethane)